SCHEMBL11773183

SCHEMBL11773183

COc1cc(S(N)(=O)=O)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ TTR P02766 8/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CASP3 P42574 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11772256 0.90 AKR1B1 (0.49) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11768077 0.90 AKR1B1 (0.49) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11770281 0.89 TTR (0.50) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11766815 0.88 KMT2A (0.61) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11767912 0.88 TTR (0.47) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11767070 0.88 TTR (0.49) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11766950 0.87 AKR1B1 (0.47) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11766634 0.87 KDM4E (0.51) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11783197 0.87 AKR1B1 (0.60) AKR1B1KDM4EALDH1A1HPGDMEN1
SCHEMBL11768198 0.86 LTB4R (0.48) AKR1B1KDM4EALDH1A1HPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3988352-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-10-26 — — US disclosed
US-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 — — US disclosed
US-3965115-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-22 — — US disclosed
US-3963753-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
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